3-bromo-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide

C13H6BrCl2F2NO — CID 103878381

IUPAC3-bromo-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
SMILESO=C(Nc1c(F)cc(F)cc1Cl)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H6BrCl2F2NO/c14-8-3-6(1-2-9(8)15)13(20)19-12-10(16)4-7(17)5-11(12)18/h1-5H,(H,19,20)
InChIKeyWBCVGGAMIPAXGK-UHFFFAOYSA-N
MW381.00 g/mol
LogP5.29
Rot. Bonds2

About 3-bromo-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide

3-bromo-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide (PubChem CID 103878381) has the molecular formula C13H6BrCl2F2NO and a molecular weight of 381.00 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
PubChem CID103878381
Molecular FormulaC13H6BrCl2F2NO
Molecular Weight381.00 g/mol
Exact Mass378.90
IUPAC Name3-bromo-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
SMILESO=C(Nc1c(F)cc(F)cc1Cl)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H6BrCl2F2NO/c14-8-3-6(1-2-9(8)15)13(20)19-12-10(16)4-7(17)5-11(12)18/h1-5H,(H,19,20)
InChIKeyWBCVGGAMIPAXGK-UHFFFAOYSA-N
XLogP5.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.00
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 83081298
3-bromo-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 82889682
3-bromo-4-chloro-N-(3,5-difluorophenyl)benzamide
CID 114025876
N-(2-amino-4,6-difluorophenyl)-4-bromo-3-chlorobenzamide
CID 81313689
3-bromo-4-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107999237
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-3-sulfanylbenzamide
CID 107617505
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-chlorobenzamide
CID 107999136
3-bromo-4-chloro-N-(3-fluorophenyl)benzamide
CID 107999213
3-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylbenzamide
CID 81471642
N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide
CID 60651944
2-bromo-N-(2-chloro-4,6-difluorophenyl)-5-methylbenzamide
CID 82889504
3-bromo-4-chloro-N-(2,4,6-trimethylphenyl)benzamide
CID 107999165

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide (CID 103878381) is 3-bromo-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide is O=C(Nc1c(F)cc(F)cc1Cl)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide?
The InChIKey is WBCVGGAMIPAXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrCl2F2NO/c14-8-3-6(1-2-9(8)15)13(20)19-12-10(16)4-7(17)5-11(12)18/h1-5H,(H,19,20).
What are the key properties of 3-bromo-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide?
3-bromo-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide has a molecular weight of 381.00 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide is sourced from PubChem (CID 103878381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).